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Galacturonic acid 6TMS
SpectraBase Compound ID Ba8Ybfbq5E8
InChI InChI=1S/C24H58O8Si6/c1-33(2,3)27-19(21(29-35(7,8)9)23(25)31-37(13,14)15)20(28-34(4,5)6)22(30-36(10,11)12)24(26)32-38(16,17)18/h19-22H,1-18H3/t19-,20-,21-,22+/m0/s1
InChIKey AFNUGMFTFWKGLV-MYGLTJDJSA-N
Mol Weight 643.2 g/mol
Molecular Formula C24H58O8Si6
Exact Mass 642.274728 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IviBdxie9ey
Name saccharic acid, 6TMS
Comments Derivatization type: 6 TMS (mass: 642.275); CC-BY: Oliver Fiehn, University of California, Davis; MoNA-ID: FiehnLib000319; Note: The molecular formula of the structure shown is C6H10O8 - which differs from the formula reported for the mass spectrum (C24H58O8Si6)
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Formula C24H58O8Si6
InChI InChI=1S/C24H58O8Si6/c1-33(2,3)27-19(21(29-35(7,8)9)23(25)31-37(13,14)15)20(28-34(4,5)6)22(30-36(10,11)12)24(26)32-38(16,17)18/h19-22H,1-18H3/t19-,20-,21-,22+/m0/s1
InChIKey AFNUGMFTFWKGLV-MYGLTJDJSA-N
Molecular Weight 643.230 g/mol
SMILES [C@@]([C@@]([C@](C(=O)O[Si](C)(C)C)(O[Si](C)(C)C)[H])(O[Si](C)(C)C)[H])([C@@](C(=O)O[Si](C)(C)C)(O[Si](C)(C)C)[H])(O[Si](C)(C)C)[H]
SPLASH splash10-000t-0923000000-6490a1c6d0dfb83df0a3
Source of Spectrum FM-2019-319-0
Synonyms Saccharic acid, 6TMS D-glucaric acid, 6TMS D-glucarate, 6TMS L-gularic acid, 6TMS D-saccharic acid, 6TMS DL-Glucaric acid, 6TMS (2S,3S,4S,5R)-2,3,4,5-tetrahydroxyhexanedioic acid, 6TMS bis(trimethylsilyl) (2R,3S,4S,5S)-2,3,4,5-tetrakis((trimethylsilyl)oxy)hexanedioate
Wiley ID 1818006